SCHEMBL23005265

SCHEMBL23005265

C=CCCCC(O)C#Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.39
APP P05067 1/20 0.34
MMP9 P14780 2/20 0.34
MMP1 P03956 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 2/20 0.33
MMP2 P08253 1/20 0.32
MMP12 P39900 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
THPO P40225 1/20 0.32
HPGD P15428 1/20 0.31
RIPK1 Q13546 1/20 0.31
HTR2A P28223 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29144879 0.94 MAPT (0.38) MAPTKMT2AAPPMMP9MMP1
SCHEMBL731332 0.80 KMT2A (0.49) MAPTKMT2AAPPMMP9MMP1
SCHEMBL23024694 0.80 KMT2A (0.49) MAPTKMT2AAPPMMP9MMP1
SCHEMBL12003637 0.80 MMP12 (0.43) KMT2AAPPMMP9MMP1ALDH1A1
SCHEMBL6744835 0.78 MMP2 (0.49) KMT2AAPPMMP9ALDH1A1MMP2
SCHEMBL30669395 0.77 MMP2 (0.51) KMT2AMMP9ALDH1A1FFAR1MMP2
SCHEMBL29144869 0.77 APP (0.37) MAPTKMT2AAPPMMP9ALDH1A1
SCHEMBL9277673 0.77 MMP2 (0.51) KMT2AMMP9ALDH1A1FFAR1MMP2
SCHEMBL2745411 0.75 RIPK1 (0.53) ALDH1A1L3MBTL1LMNACYP2C19RIPK1
SCHEMBL29144871 0.75 KMT2A (0.37) MAPTKMT2AAPPMMP9MMP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY (US) 2021-11-16 US disclosed
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use DREXEL UNIVERSITY 2021-02-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11174275-B2 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MAPT 4669/4885KMT2A 2539/4885APP 3235/4885
US-20210054003-A1 Methods for the preparation of cyclopentaoxasilinones and cyclopentaoxaborininones and their use HSD17B7, CYP4A22, PPOX MAPT 4669/4885KMT2A 2539/4885APP 3235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.